SCHEMBL438177

SCHEMBL438177

O=C(O)c1ccc2nc(-c3ccccc3C(F)(F)F)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.54
TTR P02766 1/20 0.53
ALB P02768 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
DRD1 P21728 1/20 0.53
OPRD1 P41143 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
UTRN P46939 1/20 0.47
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
KMO O15229 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
PSMB8 P28062 1/20 0.42
NOTUM Q6P988 1/20 0.42
MGLL Q99685 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL439113 0.90 UTRN (0.54) C1RUTRNHDAC6HDAC3KMO
SCHEMBL1675530 0.83 MAOA (0.56) C1RTTRALBMAOACNR1
SCHEMBL12704756 0.82 ESR2 (0.63) C1RUTRNESR1ESR2
SCHEMBL29784233 0.78 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL121966 0.78 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL22442367 0.78 MGLL (0.57) TTRALBMAOACNR1DRD1
SCHEMBL24292359 0.78 C1R (0.64) C1RUTRNPSMB8NOTUMSMN1; SMN2
SCHEMBL31261527 0.77 TTR (0.62) TTRALBMAOACNR1DRD1
SCHEMBL6840267 0.77 TTR (0.62) TTRALBMAOACNR1DRD1
SCHEMBL31261526 0.77 TTR (0.58) TTRALBMAOACNR1DRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448852-C Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2009-01-07 CN claimed
EP-1587821-B1 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2008-08-20 EP claimed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US claimed
US-20220184041-A1 (AZA)Benzothiazolyl Substituted Pyrazole Compounds PFIZER INC. (US) 2022-06-16 US disclosed
WO-2022112919-A1 (AZA)BENZOTHIAZOLYL SUBSTITUTED PYRAZOLE COMPOUNDS PFIZER INC. (US) 2022-06-02 WO disclosed
WO-2020128816-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING A COMBINATION OF A BENZOXAZOLE TRANSTHYRETIN STABILIZER AND AN ADDITIONAL THERAPEUTIC AGENT PFIZER INC. (US) 2020-06-25 WO disclosed
EP-2325651-B1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2014-10-08 EP disclosed
US-20140134753-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-15 US disclosed
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
CN-101413143-B Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST 2013-09-18 CN disclosed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-20070078186-A1 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE 2007-04-05 US disclosed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US disclosed
CN-1747965-A Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2006-03-15 CN disclosed
EP-1587821-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING The Scripps Research Institute (US) 2005-10-26 EP disclosed
US-20040152140-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE 2004-08-05 US disclosed
WO-2004056315-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078186-A1 Methods for treating transthyretin amyloid diseases TTR, TTPA, PRNP C1R 2803/4885TTR 1/4885ALB 26/4885
US-20220184041-A1 (AZA)Benzothiazolyl Substituted Pyrazole Compounds TTR, APOB, SERPINB6 C1R 115/4885TTR 1/4885ALB 6/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP C1R 1223/4885TTR 1/4885ALB 10/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.